UCSF

ZINC59388376

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2011 19 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.73 8.23 -43.79 1 4 1 38 284.449 8
Mid Mid (pH 6-8) 1.73 5.96 -11.46 0 4 0 36 283.441 8

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )